SCHEMBL4749260

SCHEMBL4749260

CC(C)c1cc2c(c(N3CCN(C(=O)C=Cc4ccccc4O)CC3)n1)C(=O)OCC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
LMNA P02545 1/20 0.38
CCR4 P51679 1/20 0.38
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
KRAS P01116 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4747050 0.89 KDM4E (0.52) LMNAKDM4ENPC1RAB9AMEN1
SCHEMBL4746545 0.88 ME2 (0.44) LMNACCR4KDM4ENPC1RAB9A
SCHEMBL4749877 0.84 KDM4E (0.46) LMNAKDM4ENPC1RAB9AMEN1
SCHEMBL4749902 0.84 GPR183 (0.53) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL4747137 0.83 L3MBTL1 (0.53) LMNAKDM4EMEN1KMT2AHPGD
SCHEMBL4750248 0.82 LMNA (0.47) LMNAKDM4EHPGDALDH1A1POLB
SCHEMBL4749965 0.78 KDM4E (0.43) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL4749923 0.76 KDM4E (0.44) KDM4ENPSR1HPGDALDH1A1POLB
SCHEMBL4749356 0.76 KDM4E (0.42) KDM4EKMT2AHPGDALDH1A1
SCHEMBL4749360 0.75 ALDH1A1 (0.55) LMNAKDM4EMEN1KMT2ANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO disclosed